2-(2-aminopropyl)-4-bromoisoindole-1,3-dione

C11H11BrN2O2 — CID 117031727

IUPAC2-(2-aminopropyl)-4-bromoisoindole-1,3-dione
SMILESCC(N)CN1C(=O)c2cccc(Br)c2C1=O
InChIInChI=1S/C11H11BrN2O2/c1-6(13)5-14-10(15)7-3-2-4-8(12)9(7)11(14)16/h2-4,6H,5,13H2,1H3
InChIKeyGNVYVJQXZVMDNS-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.39
Rot. Bonds2

About 2-(2-aminopropyl)-4-bromoisoindole-1,3-dione

2-(2-aminopropyl)-4-bromoisoindole-1,3-dione (PubChem CID 117031727) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 2-(2-aminopropyl)-4-bromoisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-aminopropyl)-4-bromoisoindole-1,3-dione
PubChem CID117031727
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name2-(2-aminopropyl)-4-bromoisoindole-1,3-dione
SMILESCC(N)CN1C(=O)c2cccc(Br)c2C1=O
InChIInChI=1S/C11H11BrN2O2/c1-6(13)5-14-10(15)7-3-2-4-8(12)9(7)11(14)16/h2-4,6H,5,13H2,1H3
InChIKeyGNVYVJQXZVMDNS-UHFFFAOYSA-N
XLogP1.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethyl)-4-bromoisoindole-1,3-dione
CID 117031724
4-bromo-2-[2-(methylamino)ethyl]isoindole-1,3-dione
CID 117031725
1-(2-aminopropyl)benzo[cd]indol-2-one
CID 43211493
1-[(2R)-2-aminopropyl]benzo[cd]indol-2-one
CID 28793599
4-bromo-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
CID 175366961
3-(4-bromo-1,3-dioxoisoindol-2-yl)butanoic acid
CID 117031762
4-bromo-2-(2-methylphenyl)isoindole-1,3-dione
CID 169336941
1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene
CID 14113190
methyl (2S,3R)-3-hydroxy-2-[(4-methoxy-1,3-dioxoisoindol-2-yl)methyl]butanoate
CID 10425311
2-(4-bromo-1,3-dioxoisoindol-2-yl)pent-2-enoic acid
CID 70072066
4-bromo-2-(2-methoxyphenyl)isoindole-1,3-dione
CID 2836357
2-[3-(2-aminopropylsulfanyl)-2-hydroxypropyl]isoindole-1,3-dione
CID 131194485

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-4-bromoisoindole-1,3-dione?
The IUPAC name of 2-(2-aminopropyl)-4-bromoisoindole-1,3-dione (CID 117031727) is 2-(2-aminopropyl)-4-bromoisoindole-1,3-dione.
What is the SMILES notation for 2-(2-aminopropyl)-4-bromoisoindole-1,3-dione?
The canonical SMILES for 2-(2-aminopropyl)-4-bromoisoindole-1,3-dione is CC(N)CN1C(=O)c2cccc(Br)c2C1=O.
What is the InChIKey of 2-(2-aminopropyl)-4-bromoisoindole-1,3-dione?
The InChIKey is GNVYVJQXZVMDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-6(13)5-14-10(15)7-3-2-4-8(12)9(7)11(14)16/h2-4,6H,5,13H2,1H3.
What are the key properties of 2-(2-aminopropyl)-4-bromoisoindole-1,3-dione?
2-(2-aminopropyl)-4-bromoisoindole-1,3-dione has a molecular weight of 283.12 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-4-bromoisoindole-1,3-dione is sourced from PubChem (CID 117031727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).